9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole

C32H21N5 — CID 58750680

IUPAC9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccncc54)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C32H21N5/c1-2-10-31-25(7-1)26-15-18-33-21-32(26)37(31)24-13-11-22(12-14-24)23-19-29(27-8-3-5-16-34-27)36-30(20-23)28-9-4-6-17-35-28/h1-21H
InChIKeyNVYNDBYTCCEBKM-UHFFFAOYSA-N
MW475.56 g/mol
LogP7.36
Rot. Bonds4

About 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole

9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole (PubChem CID 58750680) has the molecular formula C32H21N5 and a molecular weight of 475.56 g/mol. Its IUPAC name is 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole
PubChem CID58750680
Molecular FormulaC32H21N5
Molecular Weight475.56 g/mol
Exact Mass475.18
IUPAC Name9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccncc54)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C32H21N5/c1-2-10-31-25(7-1)26-15-18-33-21-32(26)37(31)24-13-11-22(12-14-24)23-19-29(27-8-3-5-16-34-27)36-30(20-23)28-9-4-6-17-35-28/h1-21H
InChIKeyNVYNDBYTCCEBKM-UHFFFAOYSA-N
XLogP7.36
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.56
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole
CID 58750621
9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 59325997
5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59326106
9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 163966802
9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
CID 164817113
9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289394
5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 89119653
9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 157415442
8-[9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587644
2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]carbazole;4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 162103136
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289395
2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 134252122

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole (CID 58750680) is 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccncc54)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole?
The InChIKey is NVYNDBYTCCEBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N5/c1-2-10-31-25(7-1)26-15-18-33-21-32(26)37(31)24-13-11-22(12-14-24)23-19-29(27-8-3-5-16-34-27)36-30(20-23)28-9-4-6-17-35-28/h1-21H.
What are the key properties of 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole?
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole has a molecular weight of 475.56 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 58750680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).